4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine

C13H13ClN2O3 — CID 117450717

IUPAC4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc(Cl)c1OC1CC1
InChIInChI=1S/C13H13ClN2O3/c1-17-11-5-7(9-6-16-19-13(9)15)4-10(14)12(11)18-8-2-3-8/h4-6,8H,2-3,15H2,1H3
InChIKeyLBZOUJLOBFBHNO-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.13
Rot. Bonds4

About 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine

4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117450717) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117450717
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc(Cl)c1OC1CC1
InChIInChI=1S/C13H13ClN2O3/c1-17-11-5-7(9-6-16-19-13(9)15)4-10(14)12(11)18-8-2-3-8/h4-6,8H,2-3,15H2,1H3
InChIKeyLBZOUJLOBFBHNO-UHFFFAOYSA-N
XLogP3.13
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641
4-[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1,2-oxazol-5-amine
CID 117488480
4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117330207
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117425199
4-[3-methoxy-4-(thian-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491639
4-(2-cyclopropyloxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117332550
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117404879
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
CID 117475333

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine (CID 117450717) is 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)cc(Cl)c1OC1CC1.
What is the InChIKey of 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is LBZOUJLOBFBHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-17-11-5-7(9-6-16-19-13(9)15)4-10(14)12(11)18-8-2-3-8/h4-6,8H,2-3,15H2,1H3.
What are the key properties of 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine?
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 280.71 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117450717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).